Molecule

ID:68280

General Information
Structure
Molecular Formula
C₅H₅IN₂
Molecular Mass
220.01107
Exact Mass
219.94974617
Charge
0
InChI
InChI=1S/C5H5IN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChIKey
UEOHKOJFUQOWKY-UHFFFAOYSA-N
Canonic Smiles
Ic1cncnc1C
Isomeric Smiles
c1nc(c(cn1)I)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1099746
LogD (pH = 7.4)
1.1100491
Log P
1.1100501
Molar Refractivity
40.6763
Polarizability
15.616071
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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